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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-301627
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ni', 'Pa']
  • Chemical System: Ni-Pa
  • Density: 14.617506794166697
  • Atomic Density: 0.04683615947386773
  • Unit Cell Volume: 85.40409898962366
  • Molar Volume: 12.857887639912185
  • Full Formula: Pa3 Ni1
  • Reduced Formula: Pa3Ni
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm